1-benzamido-3-phenylthiourea

C14H13N3OS — CID 735919

IUPAC1-benzamido-3-phenylthiourea
SMILESO=C(NNC(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13N3OS/c18-13(11-7-3-1-4-8-11)16-17-14(19)15-12-9-5-2-6-10-12/h1-10H,(H,16,18)(H2,15,17,19)
InChIKeyYFIKTVJZVZMIMY-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.32
Rot. Bonds2

About 1-benzamido-3-phenylthiourea

1-benzamido-3-phenylthiourea (PubChem CID 735919) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-benzamido-3-phenylthiourea.

Molecular Properties

Compound Name1-benzamido-3-phenylthiourea
PubChem CID735919
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-benzamido-3-phenylthiourea
SMILESO=C(NNC(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13N3OS/c18-13(11-7-3-1-4-8-11)16-17-14(19)15-12-9-5-2-6-10-12/h1-10H,(H,16,18)(H2,15,17,19)
InChIKeyYFIKTVJZVZMIMY-UHFFFAOYSA-N
XLogP2.32
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzamido-3-phenylthiourea?
The IUPAC name of 1-benzamido-3-phenylthiourea (CID 735919) is 1-benzamido-3-phenylthiourea.
What is the SMILES notation for 1-benzamido-3-phenylthiourea?
The canonical SMILES for 1-benzamido-3-phenylthiourea is O=C(NNC(=S)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzamido-3-phenylthiourea?
The InChIKey is YFIKTVJZVZMIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-13(11-7-3-1-4-8-11)16-17-14(19)15-12-9-5-2-6-10-12/h1-10H,(H,16,18)(H2,15,17,19).
What are the key properties of 1-benzamido-3-phenylthiourea?
1-benzamido-3-phenylthiourea has a molecular weight of 271.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-3-phenylthiourea is sourced from PubChem (CID 735919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).